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    Mangafodipir Trisodium

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: Mangafodipir trisodium, 140678-14-4, Mangafodipir trisodium (usan), Teslascan (tn), Trisodium;2-[2-[carboxylatomethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl]amino]ethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl]amino]acetate;hydron;manganese(2+), D04848
    Molecular Formula
    C22H27MnN4Na3O14P2
    Molecular Weight
    757.3  g/mol
    InChI Key
    BENFPBJLMUIGGD-UHFFFAOYSA-I
    Mangafodipir Trisodium is the trisodium salt of mangafodipir with potential antioxidant and chemoprotective activities. Consisting of manganese (II) ions chelated to fodipir (dipyridoxyl diphosphate or DPDP), mangafodipir scavenges oxygen free radicals such as superoxide anion, hydrogen peroxide, and hydroxyl radical, potentially preventing oxygen free radical damage to macromolecules such as DNA and minimizing oxygen free radical-related chemotoxicity in normal tissues. However, this agent may potentiate the chemotherapy-induced generation of oxygen free radicals in tumor cells, resulting in the potentiation of chemotherapy-induced cytotoxicity; tumor cells, with higher levels of reactive oxygen species than normal cells, possess a lower threshold for oxygen free radical-mediated cytotoxicity. Mangafodipir is traditionally used as an imaging agent in magnetic resonance imaging (MRI).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    trisodium;2-[2-[carboxylatomethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl]amino]ethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl]amino]acetate;hydron;manganese(2+)
    2.1.2 InChI
    InChI=1S/C22H32N4O14P2.Mn.3Na/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;;;;/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);;;;/q;+2;3*+1/p-5
    2.1.3 InChI Key
    BENFPBJLMUIGGD-UHFFFAOYSA-I
    2.1.4 Canonical SMILES
    [H+].[H+].[H+].CC1=NC=C(C(=C1[O-])CN(CCN(CC2=C(C(=NC=C2COP(=O)([O-])[O-])C)[O-])CC(=O)[O-])CC(=O)[O-])COP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Mn+2]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Ca4mn(dpdp)5

    2. Calmangafodipir

    3. Dpdp

    4. Mangafodipir

    5. Mangafodipir Trisodium

    6. Mangafodipir Trisodium, Anhydrous

    7. Manganese Dipyridoxyl Diphosphate

    8. Manganese-dpdp

    9. Mn-dpdp

    10. N,n'-bis(pyridoxal-5-phosphate)ethylenediamine-n,n'-diacetic Acid

    11. Teslascan

    2.2.2 Depositor-Supplied Synonyms

    1. Mangafodipir Trisodium

    2. 140678-14-4

    3. Mangafodipir Trisodium (usan)

    4. Teslascan (tn)

    5. Trisodium;2-[2-[carboxylatomethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl]amino]ethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl]amino]acetate;hydron;manganese(2+)

    6. D04848

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 757.3 g/mol
    Molecular Formula C22H27MnN4Na3O14P2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count13
    Exact Mass757.007251 g/mol
    Monoisotopic Mass757.007251 g/mol
    Topological Polar Surface Area304 Ų
    Heavy Atom Count46
    Formal Charge0
    Complexity873
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count8
    4 Drug and Medication Information
    4.1 Drug Indication

    This medicinal product is for diagnostic use only.

    Contrast medium for diagnostic magnetic resonance imaging (MRI) for the detection of lesions of the liver suspected to be due to metastatic disease or hepatocellular carcinomas. As an adjunct to MRI to aid in the investigation of focal pancreatic lesions.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Contrast Media

    Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)

    5.2 ATC Code

    V08CA05